2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]-1H-imidazole-5-carboxamide;5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide

C139H153F7N34O8S — CID 167640773

IUPAC2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]-1H-imidazole-5-carboxamide;5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide
SMILESCC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)o1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(S(N)(=O)=O)CC3)cc2)[nH]1.CC1CN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4C(C)C)[nH]3)cc2)CC(C)N1C.CN1C2CCC1CN(c1ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc1)C2
InChIInChI=1S/C29H30F3N7O.C29H34FN7O.C28H30FN5O2.C27H30FN7O.C26H29FN8O3S/c1-29(31,32)16-39-17-34-25(18-3-5-19(30)6-4-18)26(39)27-33-13-24(36-27)28(40)35-20-7-9-21(10-8-20)38-14-22-11-12-23(15-38)37(22)2;1-18(2)37-17-32-26(21-6-8-22(30)9-7-21)27(37)28-31-14-25(34-28)29(38)33-23-10-12-24(13-11-23)36-15-19(3)35(5)20(4)16-36;1-19(2)34-18-30-26(20-4-6-21(29)7-5-20)27(34)24-12-13-25(36-24)28(35)31-22-8-10-23(11-9-22)33-16-14-32(3)15-17-33;1-18(2)35-17-30-24(19-4-6-20(28)7-5-19)25(35)26-29-16-23(32-26)27(36)31-21-8-10-22(11-9-21)34-14-12-33(3)13-15-34;1-17(2)35-16-30-23(18-3-5-19(27)6-4-18)24(35)25-29-15-22(32-25)26(36)31-20-7-9-21(10-8-20)33-11-13-34(14-12-33)39(28,37)38/h3-10,13,17,22-23H,11-12,14-16H2,1-2H3,(H,33,36)(H,35,40);6-14,17-20H,15-16H2,1-5H3,(H,31,34)(H,33,38);4-13,18-19H,14-17H2,1-3H3,(H,31,35);4-11,16-18H,12-15H2,1-3H3,(H,29,32)(H,31,36);3-10,15-17H,11-14H2,1-2H3,(H,29,32)(H,31,36)(H2,28,37,38)
InChIKeyPDCCHSRFQFKJNC-UHFFFAOYSA-N
MW2593.04 g/mol
LogP24.15
Rot. Bonds32

About 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]-1H-imidazole-5-carboxamide;5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide

2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]-1H-imidazole-5-carboxamide;5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide (PubChem CID 167640773) has the molecular formula C139H153F7N34O8S and a molecular weight of 2593.04 g/mol. Its IUPAC name is 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]-1H-imidazole-5-carboxamide;5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound Name2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]-1H-imidazole-5-carboxamide;5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide
PubChem CID167640773
Molecular FormulaC139H153F7N34O8S
Molecular Weight2593.04 g/mol
Exact Mass2591.22
IUPAC Name2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]-1H-imidazole-5-carboxamide;5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide
SMILESCC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)o1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(S(N)(=O)=O)CC3)cc2)[nH]1.CC1CN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4C(C)C)[nH]3)cc2)CC(C)N1C.CN1C2CCC1CN(c1ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc1)C2
InChIInChI=1S/C29H30F3N7O.C29H34FN7O.C28H30FN5O2.C27H30FN7O.C26H29FN8O3S/c1-29(31,32)16-39-17-34-25(18-3-5-19(30)6-4-18)26(39)27-33-13-24(36-27)28(40)35-20-7-9-21(10-8-20)38-14-22-11-12-23(15-38)37(22)2;1-18(2)37-17-32-26(21-6-8-22(30)9-7-21)27(37)28-31-14-25(34-28)29(38)33-23-10-12-24(13-11-23)36-15-19(3)35(5)20(4)16-36;1-19(2)34-18-30-26(20-4-6-21(29)7-5-20)27(34)24-12-13-25(36-24)28(35)31-22-8-10-23(11-9-22)33-16-14-32(3)15-17-33;1-18(2)35-17-30-24(19-4-6-20(28)7-5-19)25(35)26-29-16-23(32-26)27(36)31-21-8-10-22(11-9-21)34-14-12-33(3)13-15-34;1-17(2)35-16-30-23(18-3-5-19(27)6-4-18)24(35)25-29-15-22(32-25)26(36)31-20-7-9-21(10-8-20)33-11-13-34(14-12-33)39(28,37)38/h3-10,13,17,22-23H,11-12,14-16H2,1-2H3,(H,33,36)(H,35,40);6-14,17-20H,15-16H2,1-5H3,(H,31,34)(H,33,38);4-13,18-19H,14-17H2,1-3H3,(H,31,35);4-11,16-18H,12-15H2,1-3H3,(H,29,32)(H,31,36);3-10,15-17H,11-14H2,1-2H3,(H,29,32)(H,31,36)(H2,28,37,38)
InChIKeyPDCCHSRFQFKJNC-UHFFFAOYSA-N
XLogP24.15
TPSA455.02 Ų
H-Bond Donors10
H-Bond Acceptors31
Rotatable Bonds32
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002593.04
LogP ≤ 524.15
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]-1H-imidazole-5-carboxamide;5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide with MolForge

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Related Compounds

N-[3-fluoro-1-[3-[[4-(4-fluorophenyl)-5-[5-[(3-fluoro-4-pyridinyl)carbamoyl]furan-2-yl]imidazol-1-yl]methyl]-6-bicyclo[3.2.1]octanyl]pyridin-1-ium-4-yl]-5-[5-(4-fluorophenyl)-3-[(3-methylcycloheptyl)methyl]imidazol-4-yl]furan-2-carboxamide
CID 154686000
5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-methoxy-4-pyridinyl)furan-2-carboxamide;5-[3-(2,2-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-5-hydroxy-4-pyridinyl)furan-2-carboxamide;5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxolan-3-yl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide
CID 158282706
5-[3-(2,2-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide;N-(2-fluoro-6-hydroxyphenyl)-5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide;5-[5-(4-fluorophenyl)-3-(oxetan-3-yl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide
CID 158448027
1-benzyl-4-[5-[2-oxo-2-[2-phenyl-5-(trifluoromethyl)-1H-imidazol-4-yl]ethyl]-2-pyridinyl]piperazin-2-one;methane;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethanone;2-[6-(4-methyl-4-phenylpiperidin-1-yl)-3-pyridinyl]-1-[2-phenyl-5-(trifluoromethyl)-1,3-oxazol-4-yl]ethanone;1-[1-[5-[2-oxo-2-[2-phenyl-4-(trifluoromethyl)-1,3-oxazol-5-yl]ethyl]-2-pyridinyl]piperidin-4-yl]-3H-indol-2-one
CID 159784508
N-[3-[(5-tert-butylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;N-[3-[(3,5-dimethylfuran-2-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;2-fluoro-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-3-carboxamide;N-[3-[(1-methylimidazole-4-carbonyl)amino]propyl]-3-phenyl-1H-pyrazole-5-carboxamide;6-methyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyrazine-2-carboxamide;4-phenyl-N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]pyridine-2-carboxamide;N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-2H-triazole-4-carboxamide;N-[3-[(3-phenyl-1H-pyrazole-5-carbonyl)amino]propyl]-6-(trifluoromethyl)pyridine-2-carboxamide
CID 161215616
5-[3-(2,2-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(3-fluoro-5-hydroxy-4-pyridinyl)furan-2-carboxamide;5-[3-(2,2-difluorocyclopentyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(5-fluoro-2-methyl-4-pyridinyl)furan-2-carboxamide;5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-(2-oxo-1H-pyridin-4-yl)furan-2-carboxamide;5-[3-(4,4-difluorooxolan-3-yl)-5-(4-fluorophenyl)imidazol-4-yl]-N-pyrimidin-4-ylfuran-2-carboxamide
CID 161763660
5-[3-(acetamidomethyl)phenyl]-N-[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]furan-2-carboxamide;N-[4-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]-1-benzofuran-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-1-benzofuran-2-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]-2-fluoropyridine-4-carboxamide;N-[[3-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]phenyl]methyl]imidazo[1,2-a]pyridine-2-carboxamide;N-[[2-[5-[[(1S)-1-cyclohexyl-2-(methylamino)-2-oxoethyl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]pyridine-2-carboxamide;N-[[2-[5-[[(2S)-3-methyl-1-(methylamino)-1-oxobutan-2-yl]carbamoyl]furan-2-yl]-4-pyridinyl]methyl]-2-(trifluoromethyl)pyrimidine-4-carboxamide
CID 161818323
(7Z)-2-amino-7-[(1-hydroxypyridin-1-ium-4-yl)methylidene]-6-methyl-4-(5-methylfuran-2-yl)pyrrolo[3,4-d]pyrimidin-5-one;2-amino-4-(5-methylfuran-2-yl)-7-[[2-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-amino-6-methyl-4-(5-methylfuran-2-yl)-7-[[3-(trifluoromethyl)-4-pyridinyl]methyl]-7H-pyrrolo[3,4-d]pyrimidin-5-one;9-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-2,7-dimethyl-6-(5-methylfuran-2-yl)purin-8-one
CID 161828521
2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]-1H-imidazole-5-carboxamide;5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;bis(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide)
CID 167569837
5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;tris(2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2-hydroxyethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide);5-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]pentanoic acid;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide
CID 167592205
5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(2-hydroxyethyl)phenyl]-1H-imidazole-5-carboxamide;3-[4-[[2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-1H-imidazole-5-carbonyl]amino]phenyl]propanoic acid;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methyl-3-oxopiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]phenyl]-1H-imidazole-5-carboxamide
CID 167630114
2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]-1H-imidazole-5-carboxamide;5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-(4-piperazin-1-ylphenyl)-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide
CID 167647447

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]-1H-imidazole-5-carboxamide;5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide?
The IUPAC name of 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]-1H-imidazole-5-carboxamide;5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide (CID 167640773) is 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]-1H-imidazole-5-carboxamide;5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]-1H-imidazole-5-carboxamide;5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]-1H-imidazole-5-carboxamide;5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide is CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)o1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)[nH]1.CC(C)n1cnc(-c2ccc(F)cc2)c1-c1ncc(C(=O)Nc2ccc(N3CCN(S(N)(=O)=O)CC3)cc2)[nH]1.CC1CN(c2ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4C(C)C)[nH]3)cc2)CC(C)N1C.CN1C2CCC1CN(c1ccc(NC(=O)c3cnc(-c4c(-c5ccc(F)cc5)ncn4CC(C)(F)F)[nH]3)cc1)C2.
What is the InChIKey of 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]-1H-imidazole-5-carboxamide;5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide?
The InChIKey is PDCCHSRFQFKJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3N7O.C29H34FN7O.C28H30FN5O2.C27H30FN7O.C26H29FN8O3S/c1-29(31,32)16-39-17-34-25(18-3-5-19(30)6-4-18)26(39)27-33-13-24(36-27)28(40)35-20-7-9-21(10-8-20)38-14-22-11-12-23(15-38)37(22)2;1-18(2)37-17-32-26(21-6-8-22(30)9-7-21)27(37)28-31-14-25(34-28)29(38)33-23-10-12-24(13-11-23)36-15-19(3)35(5)20(4)16-36;1-19(2)34-18-30-26(20-4-6-21(29)7-5-20)27(34)24-12-13-25(36-24)28(35)31-22-8-10-23(11-9-22)33-16-14-32(3)15-17-33;1-18(2)35-17-30-24(19-4-6-20(28)7-5-19)25(35)26-29-16-23(32-26)27(36)31-21-8-10-22(11-9-21)34-14-12-33(3)13-15-34;1-17(2)35-16-30-23(18-3-5-19(27)6-4-18)24(35)25-29-15-22(32-25)26(36)31-20-7-9-21(10-8-20)33-11-13-34(14-12-33)39(28,37)38/h3-10,13,17,22-23H,11-12,14-16H2,1-2H3,(H,33,36)(H,35,40);6-14,17-20H,15-16H2,1-5H3,(H,31,34)(H,33,38);4-13,18-19H,14-17H2,1-3H3,(H,31,35);4-11,16-18H,12-15H2,1-3H3,(H,29,32)(H,31,36);3-10,15-17H,11-14H2,1-2H3,(H,29,32)(H,31,36)(H2,28,37,38).
What are the key properties of 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]-1H-imidazole-5-carboxamide;5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide?
2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]-1H-imidazole-5-carboxamide;5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide has a molecular weight of 2593.04 g/mol, XLogP of 24.15, 32 rotatable bonds, 10 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-difluoropropyl)-5-(4-fluorophenyl)imidazol-4-yl]-N-[4-(8-methyl-3,8-diazabicyclo[3.2.1]octan-3-yl)phenyl]-1H-imidazole-5-carboxamide;5-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]furan-2-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(4-sulfamoylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide;2-[5-(4-fluorophenyl)-3-propan-2-ylimidazol-4-yl]-N-[4-(3,4,5-trimethylpiperazin-1-yl)phenyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 167640773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).